BioLiP

PDB

BioLiP

PDB CCD ID:

A1A0O

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O6

InChI:

InChI=1S/C10H19NO6/c12-6-8(14)10(16)9(15)7(13)5-11-1-3-17-4-2-11/h8-10,12,14-16H,1-6H2/t8-,9-,10-/m1/s1

InChIKey:

JPANQHVKLYKLEB-OPRDCNLKSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(CN1CCOCC1)C(O)C(O)C(O)CO
OpenEye OEToolkits 2.0.7	C1COCCN1CC(=O)C(C(C(CO)O)O)O
CACTVS 3.385	OC[CH](O)[CH](O)[CH](O)C(=O)CN1CCOCC1
OpenEye OEToolkits 2.0.7	C1COCCN1CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O
CACTVS 3.385	OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN1CCOCC1

Name:

1-deoxy-1-(morpholin-4-yl)-D-fructose;
1-Deoxy-1-morpholino-D-fructose

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).